General Information of the Compound
| Compound ID |
CP0566020
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| Compound Name |
2-(2H-tetrazol-5-ylamino)ethyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
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| Structure |
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| Formula |
C33H53N5O3
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| Molecular Weight |
567.819
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCNc1nnn[nH]1
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| InChI |
InChI=1S/C33H53N5O3/c1-20-10-15-33(27(40)41-19-18-34-28-35-37-38-36-28)17-16-31(6)22(26(33)21(20)2)8-9-24-30(5)13-12-25(39)29(3,4)23(30)11-14-32(24,31)7/h8,20-21,23-26,39H,9-19H2,1-7H3,(H2,34,35,36,37,38)/t20-,21+,23+,24-,25+,26+,30+,31-,32-,33+/m1/s1
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| InChIKey |
IKAGVMRHJVSHRH-HYJXTGCUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound